| SpectraBase Compound ID | 1reSNn10koG |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-12(2)9-8-10-20-14(18)13(3)17(7)15(19)21-11-16(4,5)6/h12-13H,8-11H2,1-7H3 |
| InChIKey | KJGITFUBGMENTD-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOKlSnyv0YQ |
|---|---|
| Name | Alanine, N-methyl-N-neopentyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-12(2)9-8-10-20-14(18)13(3)17(7)15(19)21-11-16(4,5)6/h12-13H,8-11H2,1-7H3 |
| InChIKey | KJGITFUBGMENTD-UHFFFAOYSA-N |
| SMILES | CC(COC(N(C(C(OCCCC(C)C)=O)C)C)=O)(C)C |